N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride

C15H15ClN4 — CID 67163109

IUPACN-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ncn[nH]1.Cl
InChIInChI=1S/C15H14N4.ClH/c1-19(15-16-11-17-18-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;/h2-11H,1H3,(H,16,17,18);1H
InChIKeyZZBABOTWXBSCSQ-UHFFFAOYSA-N
MW286.77 g/mol
LogP3.66
Rot. Bonds3

About N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride

N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride (PubChem CID 67163109) has the molecular formula C15H15ClN4 and a molecular weight of 286.77 g/mol. Its IUPAC name is N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride
PubChem CID67163109
Molecular FormulaC15H15ClN4
Molecular Weight286.77 g/mol
Exact Mass286.10
IUPAC NameN-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride
SMILESCN(c1ccc(-c2ccccc2)cc1)c1ncn[nH]1.Cl
InChIInChI=1S/C15H14N4.ClH/c1-19(15-16-11-17-18-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;/h2-11H,1H3,(H,16,17,18);1H
InChIKeyZZBABOTWXBSCSQ-UHFFFAOYSA-N
XLogP3.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride?
The IUPAC name of N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride (CID 67163109) is N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride?
The canonical SMILES for N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride is CN(c1ccc(-c2ccccc2)cc1)c1ncn[nH]1.Cl.
What is the InChIKey of N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride?
The InChIKey is ZZBABOTWXBSCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4.ClH/c1-19(15-16-11-17-18-15)14-9-7-13(8-10-14)12-5-3-2-4-6-12;/h2-11H,1H3,(H,16,17,18);1H.
What are the key properties of N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride?
N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride has a molecular weight of 286.77 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-phenylphenyl)-1H-1,2,4-triazol-5-amine;hydrochloride is sourced from PubChem (CID 67163109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).